methane;5-methyl-2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-imidazol-5-amine;2-[(2-propan-2-yl-1H-imidazol-5-yl)amino]ethanol;2-propan-2-yl-1,3-oxazol-5-amine;2-propan-2-yl-4H-1,3-oxazol-5-one;2-propan-2-yl-1,3-thiazol-5-amine;N'-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)ethane-1,2-diamine

C47H86N18O4S — CID 159306777

IUPACmethane;5-methyl-2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-imidazol-5-amine;2-[(2-propan-2-yl-1H-imidazol-5-yl)amino]ethanol;2-propan-2-yl-1,3-oxazol-5-amine;2-propan-2-yl-4H-1,3-oxazol-5-one;2-propan-2-yl-1,3-thiazol-5-amine;N'-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)ethane-1,2-diamine
SMILESC.CC(C)C1=NCC(=O)O1.CC(C)c1nc(NCCN)n[nH]1.CC(C)c1ncc(N)[nH]1.CC(C)c1ncc(N)o1.CC(C)c1ncc(N)s1.CC(C)c1ncc(NCCO)[nH]1.Cc1cnc(C(C)C)[nH]1
InChIInChI=1S/C8H15N3O.C7H15N5.C7H12N2.C6H11N3.C6H10N2O.C6H10N2S.C6H9NO2.CH4/c1-6(2)8-10-5-7(11-8)9-3-4-12;1-5(2)6-10-7(12-11-6)9-4-3-8;1-5(2)7-8-4-6(3)9-7;3*1-4(2)6-8-3-5(7)9-6;1-4(2)6-7-3-5(8)9-6;/h5-6,9,12H,3-4H2,1-2H3,(H,10,11);5H,3-4,8H2,1-2H3,(H2,9,10,11,12);4-5H,1-3H3,(H,8,9);3-4H,7H2,1-2H3,(H,8,9);2*3-4H,7H2,1-2H3;4H,3H2,1-2H3;1H4
InChIKeyLCAALIXWLIZIQN-UHFFFAOYSA-N
MW999.39 g/mol
LogP8.66
Rot. Bonds13

About methane;5-methyl-2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-imidazol-5-amine;2-[(2-propan-2-yl-1H-imidazol-5-yl)amino]ethanol;2-propan-2-yl-1,3-oxazol-5-amine;2-propan-2-yl-4H-1,3-oxazol-5-one;2-propan-2-yl-1,3-thiazol-5-amine;N'-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)ethane-1,2-diamine

methane;5-methyl-2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-imidazol-5-amine;2-[(2-propan-2-yl-1H-imidazol-5-yl)amino]ethanol;2-propan-2-yl-1,3-oxazol-5-amine;2-propan-2-yl-4H-1,3-oxazol-5-one;2-propan-2-yl-1,3-thiazol-5-amine;N'-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)ethane-1,2-diamine (PubChem CID 159306777) has the molecular formula C47H86N18O4S and a molecular weight of 999.39 g/mol. Its IUPAC name is methane;5-methyl-2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-imidazol-5-amine;2-[(2-propan-2-yl-1H-imidazol-5-yl)amino]ethanol;2-propan-2-yl-1,3-oxazol-5-amine;2-propan-2-yl-4H-1,3-oxazol-5-one;2-propan-2-yl-1,3-thiazol-5-amine;N'-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound Namemethane;5-methyl-2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-imidazol-5-amine;2-[(2-propan-2-yl-1H-imidazol-5-yl)amino]ethanol;2-propan-2-yl-1,3-oxazol-5-amine;2-propan-2-yl-4H-1,3-oxazol-5-one;2-propan-2-yl-1,3-thiazol-5-amine;N'-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)ethane-1,2-diamine
PubChem CID159306777
Molecular FormulaC47H86N18O4S
Molecular Weight999.39 g/mol
Exact Mass998.68
IUPAC Namemethane;5-methyl-2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-imidazol-5-amine;2-[(2-propan-2-yl-1H-imidazol-5-yl)amino]ethanol;2-propan-2-yl-1,3-oxazol-5-amine;2-propan-2-yl-4H-1,3-oxazol-5-one;2-propan-2-yl-1,3-thiazol-5-amine;N'-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)ethane-1,2-diamine
SMILESC.CC(C)C1=NCC(=O)O1.CC(C)c1nc(NCCN)n[nH]1.CC(C)c1ncc(N)[nH]1.CC(C)c1ncc(N)o1.CC(C)c1ncc(N)s1.CC(C)c1ncc(NCCO)[nH]1.Cc1cnc(C(C)C)[nH]1
InChIInChI=1S/C8H15N3O.C7H15N5.C7H12N2.C6H11N3.C6H10N2O.C6H10N2S.C6H9NO2.CH4/c1-6(2)8-10-5-7(11-8)9-3-4-12;1-5(2)6-10-7(12-11-6)9-4-3-8;1-5(2)7-8-4-6(3)9-7;3*1-4(2)6-8-3-5(7)9-6;1-4(2)6-7-3-5(8)9-6;/h5-6,9,12H,3-4H2,1-2H3,(H,10,11);5H,3-4,8H2,1-2H3,(H2,9,10,11,12);4-5H,1-3H3,(H,8,9);3-4H,7H2,1-2H3,(H,8,9);2*3-4H,7H2,1-2H3;4H,3H2,1-2H3;1H4
InChIKeyLCAALIXWLIZIQN-UHFFFAOYSA-N
XLogP8.66
TPSA353.56 Ų
H-Bond Donors11
H-Bond Acceptors19
Rotatable Bonds13
Heavy Atoms70
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500999.39
LogP ≤ 58.66
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1019

Analyze methane;5-methyl-2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-imidazol-5-amine;2-[(2-propan-2-yl-1H-imidazol-5-yl)amino]ethanol;2-propan-2-yl-1,3-oxazol-5-amine;2-propan-2-yl-4H-1,3-oxazol-5-one;2-propan-2-yl-1,3-thiazol-5-amine;N'-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)ethane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;5-methyl-2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-imidazol-5-amine;2-[(2-propan-2-yl-1H-imidazol-5-yl)amino]ethanol;2-propan-2-yl-1,3-oxazol-5-amine;2-propan-2-yl-4H-1,3-oxazol-5-one;2-propan-2-yl-1,3-thiazol-5-amine;N'-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)ethane-1,2-diamine?
The IUPAC name of methane;5-methyl-2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-imidazol-5-amine;2-[(2-propan-2-yl-1H-imidazol-5-yl)amino]ethanol;2-propan-2-yl-1,3-oxazol-5-amine;2-propan-2-yl-4H-1,3-oxazol-5-one;2-propan-2-yl-1,3-thiazol-5-amine;N'-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)ethane-1,2-diamine (CID 159306777) is methane;5-methyl-2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-imidazol-5-amine;2-[(2-propan-2-yl-1H-imidazol-5-yl)amino]ethanol;2-propan-2-yl-1,3-oxazol-5-amine;2-propan-2-yl-4H-1,3-oxazol-5-one;2-propan-2-yl-1,3-thiazol-5-amine;N'-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)ethane-1,2-diamine.
What is the SMILES notation for methane;5-methyl-2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-imidazol-5-amine;2-[(2-propan-2-yl-1H-imidazol-5-yl)amino]ethanol;2-propan-2-yl-1,3-oxazol-5-amine;2-propan-2-yl-4H-1,3-oxazol-5-one;2-propan-2-yl-1,3-thiazol-5-amine;N'-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)ethane-1,2-diamine?
The canonical SMILES for methane;5-methyl-2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-imidazol-5-amine;2-[(2-propan-2-yl-1H-imidazol-5-yl)amino]ethanol;2-propan-2-yl-1,3-oxazol-5-amine;2-propan-2-yl-4H-1,3-oxazol-5-one;2-propan-2-yl-1,3-thiazol-5-amine;N'-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)ethane-1,2-diamine is C.CC(C)C1=NCC(=O)O1.CC(C)c1nc(NCCN)n[nH]1.CC(C)c1ncc(N)[nH]1.CC(C)c1ncc(N)o1.CC(C)c1ncc(N)s1.CC(C)c1ncc(NCCO)[nH]1.Cc1cnc(C(C)C)[nH]1.
What is the InChIKey of methane;5-methyl-2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-imidazol-5-amine;2-[(2-propan-2-yl-1H-imidazol-5-yl)amino]ethanol;2-propan-2-yl-1,3-oxazol-5-amine;2-propan-2-yl-4H-1,3-oxazol-5-one;2-propan-2-yl-1,3-thiazol-5-amine;N'-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)ethane-1,2-diamine?
The InChIKey is LCAALIXWLIZIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O.C7H15N5.C7H12N2.C6H11N3.C6H10N2O.C6H10N2S.C6H9NO2.CH4/c1-6(2)8-10-5-7(11-8)9-3-4-12;1-5(2)6-10-7(12-11-6)9-4-3-8;1-5(2)7-8-4-6(3)9-7;3*1-4(2)6-8-3-5(7)9-6;1-4(2)6-7-3-5(8)9-6;/h5-6,9,12H,3-4H2,1-2H3,(H,10,11);5H,3-4,8H2,1-2H3,(H2,9,10,11,12);4-5H,1-3H3,(H,8,9);3-4H,7H2,1-2H3,(H,8,9);2*3-4H,7H2,1-2H3;4H,3H2,1-2H3;1H4.
What are the key properties of methane;5-methyl-2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-imidazol-5-amine;2-[(2-propan-2-yl-1H-imidazol-5-yl)amino]ethanol;2-propan-2-yl-1,3-oxazol-5-amine;2-propan-2-yl-4H-1,3-oxazol-5-one;2-propan-2-yl-1,3-thiazol-5-amine;N'-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)ethane-1,2-diamine?
methane;5-methyl-2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-imidazol-5-amine;2-[(2-propan-2-yl-1H-imidazol-5-yl)amino]ethanol;2-propan-2-yl-1,3-oxazol-5-amine;2-propan-2-yl-4H-1,3-oxazol-5-one;2-propan-2-yl-1,3-thiazol-5-amine;N'-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)ethane-1,2-diamine has a molecular weight of 999.39 g/mol, XLogP of 8.66, 13 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-methyl-2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-imidazol-5-amine;2-[(2-propan-2-yl-1H-imidazol-5-yl)amino]ethanol;2-propan-2-yl-1,3-oxazol-5-amine;2-propan-2-yl-4H-1,3-oxazol-5-one;2-propan-2-yl-1,3-thiazol-5-amine;N'-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 159306777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).